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Phthalic acid, 3,4-dichlorophenyl 2-pentyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3,4-dichlorophenyl 2-pentyl ester
SpectraBase Compound ID FT3WiWaPjAT
InChI InChI=1S/C19H18Cl2O4/c1-3-6-12(2)24-18(22)14-7-4-5-8-15(14)19(23)25-13-9-10-16(20)17(21)11-13/h4-5,7-12H,3,6H2,1-2H3
InChIKey RBBGCVURHGLFQU-UHFFFAOYSA-N
Mol Weight 381.26 g/mol
Molecular Formula C19H18Cl2O4
Exact Mass 380.058214 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bb4x92xwsDC
Name Phthalic acid, 3,4-dichlorophenyl 2-pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 380.058214456 u
Formula C19H18Cl2O4
InChI InChI=1S/C19H18Cl2O4/c1-3-6-12(2)24-18(22)14-7-4-5-8-15(14)19(23)25-13-9-10-16(20)17(21)11-13/h4-5,7-12H,3,6H2,1-2H3
InChIKey RBBGCVURHGLFQU-UHFFFAOYSA-N
Molecular Weight 381.255 g/mol
SMILES C1=CC=C(C(=C1)C(OC(C)CCC)=O)C(OC1=CC=C(C(=C1)Cl)Cl)=O